(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, m333-m334 [ doi:10.1107/S1600536801010169 ]

Potassium trifluoro[(E)-2-phenyl-1-ethenyl]borate

A. N. Thadani, R. A. Batey, D. V. Smil and A. J. Lough

Online 6 July 2001

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
R factor = 0.026
wR factor = 0.067
Data-to-parameter ratio = 13.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    0.500                  
         From the CIF: _refine_ls_abs_structure_Flack_su    0.040               
           Alert C Flack test results are ambiguous.                            

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.02                 
         From the CIF: _reflns_number_total               1576                  
         Count of symmetry unique reflns          919                           
         Completeness (_total/calc)            171.49%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       657                           
         Fraction of Friedel pairs measured     0.715                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check